Geometry & MOs

Info

ID:	416453
PubChem CID:	135089466
Reduced:	ON4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	5.44
IP(EA), eV:	-8.65(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=C(C(=CC(=C2)C)CN(CCO)CC3=NC=CN3)C

DOS

IR

Vibrations